N-(3-(Aminomethyl)benzyl)acetamidine

Base Information

Chemical Name:N-(3-(Aminomethyl)benzyl)acetamidine
CAS No.:180001-34-7
Molecular Formula:C10H15N3
Molecular Weight:177.249
Hs Code.:
UNII:M1VB8VP8OH
DSSTox Substance ID:DTXSID201290729
Nikkaji Number:J820.424A
Wikidata:Q27070773
Pharos Ligand ID:KCT2SNYVDDRJ
Metabolomics Workbench ID:121277
ChEMBL ID:CHEMBL107251
Mol file:180001-34-7.mol

Synonyms:1400W cpd;N-(3-(aminomethyl)benzyl)acetamidine

Suppliers and Price of N-(3-(Aminomethyl)benzyl)acetamidine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
1400W dihydrochloride
10mg
$ 375.00

Usbiological
1400W Dihydrochloride
5mg
$ 286.00

Usbiological
1400W dihydrochloride
5mg
$ 282.00

TRC
W1400
1mg
$ 165.00

Tocris
1400W dihydrochloride ≥99%(HPLC)
50
$ 526.00

Tocris
1400W dihydrochloride ≥99%(HPLC)
10
$ 125.00

Sigma-Aldrich
1400W dihydrochloride >98%, solid
10 mg
$ 140.00

American Custom Chemicals Corporation
N-[3-(AMINOMETHYL)BENZYL]ACETAMIDINE 95.00%
50MG
$ 1041.76

American Custom Chemicals Corporation
N-[3-(AMINOMETHYL)BENZYL]ACETAMIDINE 95.00%
10MG
$ 660.95

Total 16 raw suppliers

Chemical Property of N-(3-(Aminomethyl)benzyl)acetamidine

Chemical Property:

Appearance/Colour:solid
Vapor Pressure:0.000183mmHg at 25°C
Melting Point:208-220 °C
Boiling Point:329 °C at 760 mmHg
PKA:11.33±0.50(Predicted)
Flash Point:152.7 °C
PSA：61.90000
Density:1.09 g/cm³
LogP:2.42300
Storage Temp.:−20°C
Solubility.:DMSO, Methanol, Water
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:177.126597491
Heavy Atom Count:13
Complexity:177

Purity/Quality:

99% ^*data from raw suppliers

1400W dihydrochloride ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(=NCC1=CC=CC(=C1)CN)N
Uses A selective inducible nitric oxide synthase (iNOS) inhibitor. A long-acting human iNOS inhibitor possessing an IC50 value of 2.0uM 1400W selectively inhibits inducible nitric oxide synthase. W 1400 has been implicated to prevent Doxorubicin and Trastuzumab induced cardiotoxicity.

Technology Process of N-(3-(Aminomethyl)benzyl)acetamidine

There total 4 articles about N-(3-(Aminomethyl)benzyl)acetamidine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

: 180001-98-3
N-(3-(N-Boc-aminomethyl)benzyl)acetimidine hydrochloride

: 180001-34-7
N-(3-(aminomethyl)benzyl)acetimidine

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 3h;
DOI:10.1021/ja0445645

Reference yield:

: 108467-99-8
1-(N-Boc-aminomethyl)-3-(aminomethyl)benzene

: 180001-34-7
N-(3-(aminomethyl)benzyl)acetimidine

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / ethanol / 3 h / 0 °C

2: 98 percent / aq. HCl / dioxane / 3 h / 20 °C

With hydrogenchloride; In 1,4-dioxane; ethanol;
DOI:10.1021/ja0445645